146045 1 2 3 4 5 6 7 8 9 10 16 16 11 11 8 8 8 8 8 8 3 1 4 1 5 -1 6 -1 1 1 1 1 2 2 2 2 5 7 8 6 9 10 1 1 2 2 1 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 3.732 4.5981 2 6.3301 2.866 5.4641 3.232 4.232 5.0981 4.0981 -0.25 0.25 -0.25 0.25 -0.75 0.75 0.616 -1.116 -0.616 1.116 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 181 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000038306000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2Na.H2O6S2/c;;1-7(2,3)8(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CSMWJXBSXGUPGY-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.89316863 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Na2O6S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 206.11 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)S(=O)(=O)[O-].[Na+].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)S(=O)(=O)[O-].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 131 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.89316863 10 0 0 0 0 0 0 0 3 -1